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Sodium Ion → 10,11-Dihydro-10-[[6-(cyclohexylthio)-3-pyridinyl]carbonyl]-5H-pyrrolo-[2,1-c][1,4]benzodiazepine

HRID 98110
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반응식

HRID 98110 반응식
[CH:3]1([SH:9])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[Cl:10][c:11]1[cH:12][cH:13][c:14]([C:17](=[O:18])[N:19]2[CH2:20][c:21]3[n:22]([cH:30][cH:31][cH:32]3)[CH2:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[cH:15][n:16]1.[H-:1].[Na+:2].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1>>[CH:3]1([S:9][c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[N:19]3[CH2:20][c:21]4[n:22]([cH:30][cH:31][cH:32]4)[CH2:23][c:24]4[c:25]3[cH:26][cH:27][cH:28][cH:29]4)[cH:15][n:16]2)[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1
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반응물 5

HCID 923Sodium IonHCID 8028TetrahydrofuranHCID 15290CyclohexanethiolHCID 166653HydrideHCID 2194772510-[(6-Chloro-3-pyridinyl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

생성물 1

HCID 1891747410,11-Dihydro-10-[[6-(cyclohexylthio)-3-pyridinyl]carbonyl]-5H-pyrrolo-[2,1-c][1,4]benzodiazepine

출처 및 근거

ORD 기록
ord-81c5215d1e444dcebac0ab4fff050464
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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